SCHEMBL6036714

SCHEMBL6036714

CCOC(=O)c1sc2[nH]c(=O)ccc2c1Br.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 6/20 0.40
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MC4R P32245 1/20 0.34
KDM4E B2RXH2 6/20 0.34
HSP90AA1 P07900 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1266729 0.90 MAPT (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5648088 0.73 MAPT (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5651378 0.72 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2948992 0.70 DHODH (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5653775 0.69 CDC7 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2956431 0.67 DHODH (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3491232 0.67 KDM4E (0.46) MEN1KMT2AMAPTHDAC4HDAC6
SCHEMBL25205219 0.65 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL31015983 0.65 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12895309 0.65 RXFP1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680429-A1 THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS Celltech R & D Limited (GB) 2006-07-19 EP disclosed
WO-2005042540-A1 THIENO-PYRIDINONE DERIVATIVES AS KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2005-05-12 WO disclosed